3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one

C17H16ClFN2O3S — CID 110656903

IUPAC3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-11-9-14(19)5-6-15(11)25(23,24)21-8-7-20-17(22)16(21)12-3-2-4-13(18)10-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyXJLFSLVMOLWMJY-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.65
Rot. Bonds3

About 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one

3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one (PubChem CID 110656903) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
PubChem CID110656903
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-11-9-14(19)5-6-15(11)25(23,24)21-8-7-20-17(22)16(21)12-3-2-4-13(18)10-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyXJLFSLVMOLWMJY-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420094
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]sulfonylbenzonitrile
CID 110657677
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one (CID 110656903) is 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one?
The InChIKey is XJLFSLVMOLWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-11-9-14(19)5-6-15(11)25(23,24)21-8-7-20-17(22)16(21)12-3-2-4-13(18)10-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one?
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one has a molecular weight of 382.84 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110656903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).